LEADER 03329nam 2201069z- 450 001 9910346839403321 005 20231214133435.0 035 $a(CKB)4920000000095246 035 $a(oapen)https://directory.doabooks.org/handle/20.500.12854/53851 035 $a(EXLCZ)994920000000095246 100 $a20202102d2019 |y 0 101 0 $aeng 135 $aurmn|---annan 181 $ctxt$2rdacontent 182 $cc$2rdamedia 183 $acr$2rdacarrier 200 10$aMolecular Modeling in Drug Design 210 $cMDPI - Multidisciplinary Digital Publishing Institute$d2019 215 $a1 electronic resource (220 p.) 311 $a3-03897-614-8 330 $aThis book is a printed edition of the Special Issue Molecular Modeling in Drug Design that was published in Molecules 610 $ametadynamics 610 $anatural compounds 610 $avirtual screening 610 $aprobe energies 610 $amolecular dynamics simulation 610 $ahuman ecto-5?-nucleotidase 610 $aneural networks 610 $aquantitative structure-activity relationship (QSAR) 610 $aartificial intelligence 610 $aallosterism 610 $ain silico screening 610 $adrug discovery 610 $aamyloid fibrils 610 $amechanical stability 610 $aadenosine receptors 610 $aadenosine receptor 610 $aligand binding 610 $apromiscuous mechanism 610 $aAutoGrid 610 $adynamic light scattering 610 $aresultant dipole moment 610 $adensity-based clustering 610 $aAlzheimer?s disease 610 $adrug design 610 $abiophenols 610 $aenzymatic assays 610 $aall-atom molecular dynamics simulation 610 $afragment screening 610 $aadenosine 610 $adocking 610 $amolecular docking 610 $acosolvent molecular dynamics 610 $aturbidimetry 610 $asqualene synthase (SQS) 610 $amolecular recognition 610 $aprotein-peptide interactions 610 $aextracellular loops 610 $aFimH 610 $abinding affinity 610 $arational drug design 610 $ade novo design 610 $ahyperlipidemia 610 $aAR ligands 610 $aaggregation 610 $aproperty prediction 610 $aPPI inhibition 610 $adeep learning 610 $aproteins 610 $aquantitative structure-property prediction (QSPR) 610 $aprotein protein interactions 610 $aboron cluster 610 $atarget-focused pharmacophore modeling 610 $aligand?protofiber interactions 610 $astructure-based drug design 610 $ascoring function 610 $agrid maps 610 $asolvent effect 610 $aadhesion 610 $amolecular dynamics 610 $aTraditional Chinese Medicine 610 $asteered molecular dynamics 610 $ainteraction energy 610 $aEphA2-ephrin A1 610 $amolecular modeling 610 $amethod development 700 $aWade$b Rebecca$4auth$01292421 702 $aSalo-Ahen$b Outi$4auth 906 $aBOOK 912 $a9910346839403321 996 $aMolecular Modeling in Drug Design$93022288 997 $aUNINA